Materials Data on MnAg2Sn3S8 by Materials Project

doi:10.17188/1719833

Title: Materials Data on MnAg2Sn3S8 by Materials Project

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Abstract

Ag2MnSn3S8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mn2+ is bonded to six equivalent S2- atoms to form MnS6 octahedra that share corners with six equivalent AgS4 tetrahedra and edges with six equivalent SnS6 octahedra. All Mn–S bond lengths are 2.57 Å. Ag1+ is bonded to four S2- atoms to form AgS4 tetrahedra that share corners with three equivalent MnS6 octahedra and corners with nine equivalent SnS6 octahedra. The corner-sharing octahedra tilt angles range from 55–61°. There are three shorter (2.52 Å) and one longer (2.57 Å) Ag–S bond lengths. Sn4+ is bonded to six S2- atoms to form SnS6 octahedra that share corners with six equivalent AgS4 tetrahedra, edges with two equivalent MnS6 octahedra, and edges with four equivalent SnS6 octahedra. There are four shorter (2.60 Å) and two longer (2.65 Å) Sn–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to one Mn2+, one Ag1+, and two equivalent Sn4+ atoms. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to one Ag1+ and three equivalent Sn4+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-01

Other Number(s):: mp-1221783

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; MnAg2Sn3S8; Ag-Mn-S-Sn

OSTI Identifier:: 1719833

DOI:: https://doi.org/10.17188/1719833

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                    The Materials Project. Materials Data on MnAg2Sn3S8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1719833.

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                    The Materials Project. Materials Data on MnAg2Sn3S8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1719833

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                    The Materials Project. 2020.  
"Materials Data on MnAg2Sn3S8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1719833.  https://www.osti.gov/servlets/purl/1719833. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1719833,

  title        = {Materials Data on MnAg2Sn3S8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag2MnSn3S8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mn2+ is bonded to six equivalent S2- atoms to form MnS6 octahedra that share corners with six equivalent AgS4 tetrahedra and edges with six equivalent SnS6 octahedra. All Mn–S bond lengths are 2.57 Å. Ag1+ is bonded to four S2- atoms to form AgS4 tetrahedra that share corners with three equivalent MnS6 octahedra and corners with nine equivalent SnS6 octahedra. The corner-sharing octahedra tilt angles range from 55–61°. There are three shorter (2.52 Å) and one longer (2.57 Å) Ag–S bond lengths. Sn4+ is bonded to six S2- atoms to form SnS6 octahedra that share corners with six equivalent AgS4 tetrahedra, edges with two equivalent MnS6 octahedra, and edges with four equivalent SnS6 octahedra. There are four shorter (2.60 Å) and two longer (2.65 Å) Sn–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to one Mn2+, one Ag1+, and two equivalent Sn4+ atoms. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to one Ag1+ and three equivalent Sn4+ atoms.},

  doi          = {10.17188/1719833},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1719833

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